2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid

C15H18ClNO5 — CID 120548047

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(COc1ccc(Cl)cc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H18ClNO5/c16-11-3-5-12(6-4-11)22-9-13(18)17-14(15(19)20)10-2-1-7-21-8-10/h3-6,10,14H,1-2,7-9H2,(H,17,18)(H,19,20)
InChIKeyXUDDWWGNSGPTFD-UHFFFAOYSA-N
MW327.76 g/mol
LogP1.71
Rot. Bonds6

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid

2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548047) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548047
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(COc1ccc(Cl)cc1)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H18ClNO5/c16-11-3-5-12(6-4-11)22-9-13(18)17-14(15(19)20)10-2-1-7-21-8-10/h3-6,10,14H,1-2,7-9H2,(H,17,18)(H,19,20)
InChIKeyXUDDWWGNSGPTFD-UHFFFAOYSA-N
XLogP1.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[[3-(4-chlorophenoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547587
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120690229
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548405
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120547450
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]acetic acid
CID 120547959

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120548047) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid is O=C(COc1ccc(Cl)cc1)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is XUDDWWGNSGPTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO5/c16-11-3-5-12(6-4-11)22-9-13(18)17-14(15(19)20)10-2-1-7-21-8-10/h3-6,10,14H,1-2,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 327.76 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).